N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine

C18H32N2S — CID 81034112

IUPACN-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(CC2CCCCCC2CNCC(C)C)sc1C
InChIInChI=1S/C18H32N2S/c1-13(2)11-19-12-17-9-7-5-6-8-16(17)10-18-20-14(3)15(4)21-18/h13,16-17,19H,5-12H2,1-4H3
InChIKeyYSJQVHFBLMVTMF-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.74
Rot. Bonds6

About N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine

N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine (PubChem CID 81034112) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
PubChem CID81034112
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC NameN-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(CC2CCCCCC2CNCC(C)C)sc1C
InChIInChI=1S/C18H32N2S/c1-13(2)11-19-12-17-9-7-5-6-8-16(17)10-18-20-14(3)15(4)21-18/h13,16-17,19H,5-12H2,1-4H3
InChIKeyYSJQVHFBLMVTMF-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine
CID 115926877
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 79017994
N-[(2-but-2-ynylcycloheptyl)methyl]-2-methylpropan-1-amine
CID 81025136
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine (CID 81034112) is N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine is Cc1nc(CC2CCCCCC2CNCC(C)C)sc1C.
What is the InChIKey of N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
The InChIKey is YSJQVHFBLMVTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-13(2)11-19-12-17-9-7-5-6-8-16(17)10-18-20-14(3)15(4)21-18/h13,16-17,19H,5-12H2,1-4H3.
What are the key properties of N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine has a molecular weight of 308.53 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81034112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).